4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

C10H17ClN4 — CID 83187042

IUPAC4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCC(CCCl)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C10H17ClN4/c1-8(4-6-11)13-9-5-7-12-10(14-9)15(2)3/h5,7-8H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyCAEPQESUPHPXEM-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.97
Rot. Bonds5

About 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 83187042) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID83187042
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCC(CCCl)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C10H17ClN4/c1-8(4-6-11)13-9-5-7-12-10(14-9)15(2)3/h5,7-8H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyCAEPQESUPHPXEM-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine
CID 132969306
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242
2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829275
4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830676
N-(4-chlorobutan-2-yl)pyrimidin-4-amine
CID 83187601
N-(4-chlorobutan-2-yl)-4-methylpyridin-2-amine
CID 83188560
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049427
N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine
CID 83186651
4-(4-chlorobutan-2-ylsulfanyl)-N,N-dimethylpyrimidin-2-amine
CID 66136977
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 64829483
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
CID 106231260

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 83187042) is 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CC(CCCl)Nc1ccnc(N(C)C)n1.
What is the InChIKey of 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is CAEPQESUPHPXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-8(4-6-11)13-9-5-7-12-10(14-9)15(2)3/h5,7-8H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 83187042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).